Ipsapirone

Ipsapirone

Salts []
Ipsapirone hydrochloride

Molecular structure via molpic based on CDK

Rotamer []
Conformer structure via 3Dmol.js
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Physical properties []
Molecular mass	401.5 g/mol [1]
Predicted LogP	1.5 [1]

Structural Identifiers []
Molecular formula	C19H23N5O3S [1]
IUPAC name	1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one [1]
SMILES	C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4 [1]
InChI	InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2 [1]
InChIKey	TZJUVVIWVWFLCD-UHFFFAOYSA-N [1]

Pharmacokinetics[]
Elimination half-life	1.3 – 2.7 hours{-{medcn|date=November 2023}-}

Ipsapirone (also known as Ipsapirona, Ipsapironum, Dtxcid2025688, TVX-Q-7821, 1,2-Benzisothiazol-3(2H)-one, 2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, 1,1-dioxide, isapirone, 1,1-dioxo-2-(4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl)-1,2-benzothiazol-3-one, 1,1-Dioxo-2-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl)-1,2-dihydro-1lambda*6*-benzo(d)isothiazol-3-one, 1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one or TVX Q 7821) is a substance of the benzylamine class.

Chemistry